N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide

C12H14N4O2S2 — CID 91761158

IUPACN-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCSCc1nc(CCNC(=O)c2c[nH]c(=O)cn2)cs1
InChIInChI=1S/C12H14N4O2S2/c1-19-7-11-16-8(6-20-11)2-3-13-12(18)9-4-15-10(17)5-14-9/h4-6H,2-3,7H2,1H3,(H,13,18)(H,15,17)
InChIKeyLAEQUJIJEATDRT-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.06
Rot. Bonds6

About N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 91761158) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID91761158
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC NameN-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCSCc1nc(CCNC(=O)c2c[nH]c(=O)cn2)cs1
InChIInChI=1S/C12H14N4O2S2/c1-19-7-11-16-8(6-20-11)2-3-13-12(18)9-4-15-10(17)5-14-9/h4-6H,2-3,7H2,1H3,(H,13,18)(H,15,17)
InChIKeyLAEQUJIJEATDRT-UHFFFAOYSA-N
XLogP1.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 91761158) is N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide is CSCc1nc(CCNC(=O)c2c[nH]c(=O)cn2)cs1.
What is the InChIKey of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is LAEQUJIJEATDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-19-7-11-16-8(6-20-11)2-3-13-12(18)9-4-15-10(17)5-14-9/h4-6H,2-3,7H2,1H3,(H,13,18)(H,15,17).
What are the key properties of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91761158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).